Atomistry » Chlorine » PDB 4ml5-4ms0 » 4mpv
Atomistry »
  Chlorine »
    PDB 4ml5-4ms0 »
      4mpv »

Chlorine in PDB 4mpv: Human Beta-Tryptase Co-Crystal Structure with (2R,4S)-N,N'-Bis[3-({4- [3-(Aminomethyl)Phenyl]Piperidin-1-Yl}Carbonyl)Phenyl]-4-Hydroxy-2- (2-Hydroxypropan-2-Yl)-5,5-Dimethyl-1,3-Dioxolane-2,4-Dicarboxamide

Enzymatic activity of Human Beta-Tryptase Co-Crystal Structure with (2R,4S)-N,N'-Bis[3-({4- [3-(Aminomethyl)Phenyl]Piperidin-1-Yl}Carbonyl)Phenyl]-4-Hydroxy-2- (2-Hydroxypropan-2-Yl)-5,5-Dimethyl-1,3-Dioxolane-2,4-Dicarboxamide

All present enzymatic activity of Human Beta-Tryptase Co-Crystal Structure with (2R,4S)-N,N'-Bis[3-({4- [3-(Aminomethyl)Phenyl]Piperidin-1-Yl}Carbonyl)Phenyl]-4-Hydroxy-2- (2-Hydroxypropan-2-Yl)-5,5-Dimethyl-1,3-Dioxolane-2,4-Dicarboxamide:
3.4.21.59;

Protein crystallography data

The structure of Human Beta-Tryptase Co-Crystal Structure with (2R,4S)-N,N'-Bis[3-({4- [3-(Aminomethyl)Phenyl]Piperidin-1-Yl}Carbonyl)Phenyl]-4-Hydroxy-2- (2-Hydroxypropan-2-Yl)-5,5-Dimethyl-1,3-Dioxolane-2,4-Dicarboxamide, PDB code: 4mpv was solved by A.White, A.J.Stein, R.Suto, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.87 / 2.31
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 78.490, 78.490, 165.481, 90.00, 90.00, 120.00
R / Rfree (%) 17.2 / 23

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Human Beta-Tryptase Co-Crystal Structure with (2R,4S)-N,N'-Bis[3-({4- [3-(Aminomethyl)Phenyl]Piperidin-1-Yl}Carbonyl)Phenyl]-4-Hydroxy-2- (2-Hydroxypropan-2-Yl)-5,5-Dimethyl-1,3-Dioxolane-2,4-Dicarboxamide (pdb code 4mpv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Human Beta-Tryptase Co-Crystal Structure with (2R,4S)-N,N'-Bis[3-({4- [3-(Aminomethyl)Phenyl]Piperidin-1-Yl}Carbonyl)Phenyl]-4-Hydroxy-2- (2-Hydroxypropan-2-Yl)-5,5-Dimethyl-1,3-Dioxolane-2,4-Dicarboxamide, PDB code: 4mpv:

Chlorine binding site 1 out of 1 in 4mpv

Go back to Chlorine Binding Sites List in 4mpv
Chlorine binding site 1 out of 1 in the Human Beta-Tryptase Co-Crystal Structure with (2R,4S)-N,N'-Bis[3-({4- [3-(Aminomethyl)Phenyl]Piperidin-1-Yl}Carbonyl)Phenyl]-4-Hydroxy-2- (2-Hydroxypropan-2-Yl)-5,5-Dimethyl-1,3-Dioxolane-2,4-Dicarboxamide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Beta-Tryptase Co-Crystal Structure with (2R,4S)-N,N'-Bis[3-({4- [3-(Aminomethyl)Phenyl]Piperidin-1-Yl}Carbonyl)Phenyl]-4-Hydroxy-2- (2-Hydroxypropan-2-Yl)-5,5-Dimethyl-1,3-Dioxolane-2,4-Dicarboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl305

b:69.0
occ:1.00
 O B:HOH441 3.5 51.2 1.0
N B:ASN185 3.7 37.6 1.0
NH1 B:ARG259 3.9 58.3 1.0
CG B:GLU184 4.1 67.7 1.0
CB B:ASN185 4.1 40.0 1.0
OD1 B:ASN185 4.3 42.9 1.0
CG B:ASN185 4.3 42.3 1.0
CA B:GLU184 4.4 49.8 1.0
CA B:ASN185 4.5 38.0 1.0
C B:GLU184 4.6 41.2 1.0
CZ B:ARG259 4.7 55.9 1.0
CB B:GLU184 4.8 56.5 1.0
NH2 B:ARG259 4.8 57.2 1.0
O B:HOH415 4.9 44.3 1.0

Reference:

S.F.Giardina, M.Pingle, K.W.Foreman, D.S.Werner, D.E.Bergstrom, F.Barany, L.D.Arnold. Target-Directed Self-Assembly of Homodimeric Drugs To Be Published.
Page generated: Sun Jul 21 20:06:22 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy